3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C21H25BrN2O3 — CID 24625048

IUPAC3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C21H25BrN2O3/c1-26-16-12-17(20(27-2)18(22)13-16)21(25)23-14-19(24-10-6-7-11-24)15-8-4-3-5-9-15/h3-5,8-9,12-13,19H,6-7,10-11,14H2,1-2H3,(H,23,25)
InChIKeyYNVWJOSGEHHLPU-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.03
Rot. Bonds7

About 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 24625048) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID24625048
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1cc(Br)c(OC)c(C(=O)NCC(c2ccccc2)N2CCCC2)c1
InChIInChI=1S/C21H25BrN2O3/c1-26-16-12-17(20(27-2)18(22)13-16)21(25)23-14-19(24-10-6-7-11-24)15-8-4-3-5-9-15/h3-5,8-9,12-13,19H,6-7,10-11,14H2,1-2H3,(H,23,25)
InChIKeyYNVWJOSGEHHLPU-UHFFFAOYSA-N
XLogP4.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
CID 43007289
3-bromo-2,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 24625138
2,6-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 112503241
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 146025289
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
2-(3-methoxyphenyl)-N-[(2R)-2-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 35671864
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 24625048) is 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is COc1cc(Br)c(OC)c(C(=O)NCC(c2ccccc2)N2CCCC2)c1.
What is the InChIKey of 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YNVWJOSGEHHLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-26-16-12-17(20(27-2)18(22)13-16)21(25)23-14-19(24-10-6-7-11-24)15-8-4-3-5-9-15/h3-5,8-9,12-13,19H,6-7,10-11,14H2,1-2H3,(H,23,25).
What are the key properties of 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 433.35 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 24625048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).